ethyl 4-(3-oxocyclohexyl)benzoate

ethyl 4-(3-oxocyclohexyl)benzoate

CAS: 131379-22-1

Formula: C15H18O3

SMILES: CCOC(=O)C1=CC=C(C=C1)C1CCCC(=O)C1

IUPAC: ethyl 4-(3-oxocyclohexyl)benzoate

InChI: InChI=1/C15H18O3/c1-2-18-15(17)12-8-6-11(7-9-12)13-4-3-5-14(16)10-13/h6-9,13H,2-5,10H2,1H3

Composition: C (73.15%), H (7.37%), O (19.49%)

Molar Mass: 246.306

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	246.12559444
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	COZQEZKXAYCLIS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.66
Topological Polar Surface Area	43.37
Polarizability	26.98
Ring Count	2
Rotatable Bond Count	4

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